2-(4-bromophenyl)-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]acetamide

C15H19BrN2O — CID 94795684

IUPAC2-(4-bromophenyl)-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]acetamide
SMILESO=C(Cc1ccc(Br)cc1)N[C@@H]1CCN(C2CC2)C1
InChIInChI=1S/C15H19BrN2O/c16-12-3-1-11(2-4-12)9-15(19)17-13-7-8-18(10-13)14-5-6-14/h1-4,13-14H,5-10H2,(H,17,19)/t13-/m1/s1
InChIKeyDBSYXTCUSUJWMA-CYBMUJFWSA-N
MW323.23 g/mol
LogP2.34
Rot. Bonds4

About 2-(4-bromophenyl)-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]acetamide

2-(4-bromophenyl)-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]acetamide (PubChem CID 94795684) has the molecular formula C15H19BrN2O and a molecular weight of 323.23 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]acetamide
PubChem CID94795684
Molecular FormulaC15H19BrN2O
Molecular Weight323.23 g/mol
Exact Mass322.07
IUPAC Name2-(4-bromophenyl)-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]acetamide
SMILESO=C(Cc1ccc(Br)cc1)N[C@@H]1CCN(C2CC2)C1
InChIInChI=1S/C15H19BrN2O/c16-12-3-1-11(2-4-12)9-15(19)17-13-7-8-18(10-13)14-5-6-14/h1-4,13-14H,5-10H2,(H,17,19)/t13-/m1/s1
InChIKeyDBSYXTCUSUJWMA-CYBMUJFWSA-N
XLogP2.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 94794742
2-[4-[(1-cyclopropylpyrrolidin-3-yl)amino]phenyl]acetamide
CID 62981648
N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-(2-nitrophenyl)acetamide
CID 94795717
3-(4-aminophenyl)-N-(1-cyclopropylpiperidin-4-yl)propanamide
CID 115341221
1-(5-bromo-2-methylphenyl)-3-[(3S)-1-cyclopropylpyrrolidin-3-yl]urea
CID 95628234
3-(4-aminophenyl)-N-(1-cyclopropylpyrrolidin-3-yl)butanamide
CID 104502509
N-[4-(bromomethyl)cyclohexyl]-2-(4-bromophenyl)acetamide
CID 112752975
N-(1-cyclopropylpyrrolidin-3-yl)-3-(2,3-dichlorophenyl)propanamide
CID 47076999
2-(5-amino-2-oxo-1-pyridinyl)-N-(1-cyclopropylpyrrolidin-3-yl)acetamide
CID 62816717
[1-[2-(4-bromophenyl)acetyl]piperidin-4-yl]carbamic acid
CID 154997701
4-amino-N-(1-cyclopropylpyrrolidin-3-yl)-4-phenylbutanamide
CID 63324219
2-(4-aminophenyl)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)acetamide;dihydrochloride
CID 119854320

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]acetamide (CID 94795684) is 2-(4-bromophenyl)-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]acetamide is O=C(Cc1ccc(Br)cc1)N[C@@H]1CCN(C2CC2)C1.
What is the InChIKey of 2-(4-bromophenyl)-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]acetamide?
The InChIKey is DBSYXTCUSUJWMA-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H19BrN2O/c16-12-3-1-11(2-4-12)9-15(19)17-13-7-8-18(10-13)14-5-6-14/h1-4,13-14H,5-10H2,(H,17,19)/t13-/m1/s1.
What are the key properties of 2-(4-bromophenyl)-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]acetamide?
2-(4-bromophenyl)-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]acetamide has a molecular weight of 323.23 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]acetamide is sourced from PubChem (CID 94795684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).